Allyl 2-hydroxyisobutyrate

Base Information

• Chemical Name: Allyl 2-hydroxyisobutyrate
• CAS No.: 19444-21-4
• Molecular Formula: C7H12O3
• Molecular Weight: 144.17
• European Community (EC) Number: 700-908-3
• DSSTox Substance ID: DTXSID60435935
• Nikkaji Number: J1.645.294G
• Wikidata: Q72437316
• Mol file: 19444-21-4.mol

Synonyms:allyl 2-hydroxyisobutyrate;19444-21-4;prop-2-enyl 2-hydroxy-2-methylpropanoate;Propanoic acid, 2-hydroxy-2-methyl-, 2-propenyl ester;2-Hydroxy-2-methyl-propionic acid allyl ester;EC 700-908-3;PROP-2-EN-1-YL 2-HYDROXY-2-METHYLPROPANOATE;SCHEMBL877587;DTXSID60435935;2-Hydroxy-2-methylpropanoic acid allyl ester;FT-0767725

Chemical Property of Allyl 2-hydroxyisobutyrate

Chemical Property:

• Vapor Pressure: 1-1.4hPa at 20-25℃
• Refractive Index: 1.4311 (589.3 nm 20℃)
• Boiling Point: 166℃ (760 Torr)
• PKA: 13.12±0.29(Predicted)
• PSA: 46.53000
• Density: 1.0040 g/cm3
• LogP: 0.48650
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 144.078644241
• Heavy Atom Count: 10
• Complexity: 138

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C(=O)OCC=C)O

Technology Process of Allyl 2-hydroxyisobutyrate

There total 2 articles about Allyl 2-hydroxyisobutyrate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

2-methyllactic acid (594-61-6) + allyl alcohol (107-18-6) → allyl 2-hydroxyisobutyrate (19444-21-4)

Guidance literature:

With benzene; unter Abscheidung des freigesetzten Wassers;

Reference yield:

α-Hydroxy-2-methylpropionic acid Na salt (993-48-6) + 3-chloroprop-1-ene (107-05-1) → allyl 2-hydroxyisobutyrate (19444-21-4)

Guidance literature:

In N,N-dimethyl-formamide; at 120 ℃;

Reference yield: 86.5%

methyl 2-chloro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)-1,2,3,6-tetrahydropyrimidin-1-yl]benzoate + allyl 2-hydroxyisobutyrate (19444-21-4) → butafenacil (134605-64-4)

Guidance literature:

With titanium(IV) isopropylate; at 110 ℃; for 4h; Temperature; Reagent/catalyst;

upstream raw materials:

2-methyllactic acid

allyl alcohol

α-Hydroxy-2-methylpropionic acid Na salt

3-chloroprop-1-ene

Downstream raw materials:

allyl methacrylate

butafenacil